SCHEMBL4454796

SCHEMBL4454796

O=C(Nc1cccc(-c2ccco2)c1)N[C@H]1[C@@H]2CN(c3ccc(F)cc3)C[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
POLB P06746 3/20 0.47
ACSS2 Q9NR19 3/20 0.44
RHOA P61586 1/20 0.42
CASR P41180 1/20 0.42
LCLAT1 Q6UWP7 6/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
MCL1 Q07820 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
APP P05067 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SNCA P37840 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13783901 1.00 CCR3 (0.51) CCR3POLBACSS2RHOACASR
SCHEMBL4454800 1.00 CCR3 (0.51) CCR3POLBACSS2RHOACASR
SCHEMBL13783923 0.87 CCR3 (0.47) CCR3POLBACSS2RHOACASR
SCHEMBL13783974 0.80 CCR3 (0.51) CCR3MEN1ALDH1A1MAPTKMT2A
SCHEMBL4564936 0.77 KDM4E (0.44) CCR3POLBLCLAT1ALDH1A1MAPT
SCHEMBL4564938 0.77 KDM4E (0.44) CCR3POLBLCLAT1ALDH1A1MAPT
SCHEMBL4452740 0.76 MAPT (0.49) POLBRHOAMEN1ALDH1A1MAPT
SCHEMBL4452736 0.76 MAPT (0.49) POLBRHOAMEN1ALDH1A1MAPT
SCHEMBL4460394 0.74 MAPT (0.61) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL4460386 0.74 MAPT (0.61) POLBMEN1ALDH1A1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO claimed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed